SCHEMBL2167641

SCHEMBL2167641

CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5CC[C@H](Nc6ccnc(NCCc7cn(C)cn7)n6)CC5)nc(NCCc5cn(C)cn5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.62
ADORA2A P29274 19/20 0.62
ADORA1 P30542 19/20 0.62
ADORA2B P29275 17/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2167644 1.00 ADORA3 (0.62) ADORA3ADORA2AADORA1ADORA2B
Formic Acid SCHEMBL4897251 0.97 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13296838 0.95 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5600260 0.95 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2289136 0.95 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13296874 0.95 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL14538873 0.95 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7459932 0.92 ADORA3 (0.64) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13296837 0.92 ADORA3 (0.64) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL9970834 0.91 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904512-B1 PURINE DERIVATIVES AS AGONISTS OF THE ADENOSINE A2A RECEPTOR GLAXO GROUP LTD (GB) 2012-06-20 EP claimed
US-7985740-B2 anti-inflammatory; (2R,3S,4R,5R)-2-(2-ethyl-2H-tetrazol-5-yl)-5-[2-{[2-(1H-imidazol-4-yl)ethyl]amino}-6-({trans-4-[(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-1H-purin-6-yl)amino]cyclohexyl}amino)-9H-purin-9-yl]tetrahydro-3,4-furandiol; immunosuppressive agents use in treatment of auto-immune diseases GLAXO GROUP LIMITED (GB) 2011-07-26 US claimed
US-20080214581-A1 Purine Derivatives as Agonists of the Adenosine A2a Receptor GLAXO GROUP LIMITED (GB) 2008-09-04 US claimed
EP-1904512-B1 PURINE DERIVATIVES AS AGONISTS OF THE ADENOSINE A2A RECEPTOR GLAXO GROUP LTD (GB) 2012-06-20 EP disclosed
US-7985740-B2 anti-inflammatory; (2R,3S,4R,5R)-2-(2-ethyl-2H-tetrazol-5-yl)-5-[2-{[2-(1H-imidazol-4-yl)ethyl]amino}-6-({trans-4-[(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-1H-purin-6-yl)amino]cyclohexyl}amino)-9H-purin-9-yl]tetrahydro-3,4-furandiol; immunosuppressive agents use in treatment of auto-immune diseases GLAXO GROUP LIMITED (GB) 2011-07-26 US disclosed
US-7985740-B2 anti-inflammatory; (2R,3S,4R,5R)-2-(2-ethyl-2H-tetrazol-5-yl)-5-[2-{[2-(1H-imidazol-4-yl)ethyl]amino}-6-({trans-4-[(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-1H-purin-6-yl)amino]cyclohexyl}amino)-9H-purin-9-yl]tetrahydro-3,4-furandiol; immunosuppressive agents use in treatment of auto-immune diseases GLAXO GROUP LIMITED (GB) 2011-07-26 US disclosed
US-7985740-B2 anti-inflammatory; (2R,3S,4R,5R)-2-(2-ethyl-2H-tetrazol-5-yl)-5-[2-{[2-(1H-imidazol-4-yl)ethyl]amino}-6-({trans-4-[(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-1H-purin-6-yl)amino]cyclohexyl}amino)-9H-purin-9-yl]tetrahydro-3,4-furandiol; immunosuppressive agents use in treatment of auto-immune diseases GLAXO GROUP LIMITED (GB) 2011-07-26 US disclosed
US-20080214581-A1 Purine Derivatives as Agonists of the Adenosine A2a Receptor GLAXO GROUP LIMITED (GB) 2008-09-04 US disclosed
US-20080214581-A1 Purine Derivatives as Agonists of the Adenosine A2a Receptor GLAXO GROUP LIMITED (GB) 2008-09-04 US disclosed
US-20080214581-A1 Purine Derivatives as Agonists of the Adenosine A2a Receptor GLAXO GROUP LIMITED (GB) 2008-09-04 US disclosed
EP-1904512-A1 PURINE DERIVATIVES AS AGONISTS OF THE ADENOSINE A2A RECEPTOR GLAXO GROUP LIMITED (GB) 2008-04-02 EP disclosed
WO-2007009757-A1 PURINE DERIVATIVES AS AGONISTS OF THE ADENOSINE A2A RECEPTOR GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
WO-2007009757-A1 PURINE DERIVATIVES AS AGONISTS OF THE ADENOSINE A2A RECEPTOR GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214581-A1 Purine Derivatives as Agonists of the Adenosine A2a Receptor ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.